N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide

C10H18INO — CID 143262691

IUPACN-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide
SMILESCCN(C)C1=C(OC)CCC=C1.I
InChIInChI=1S/C10H17NO.HI/c1-4-11(2)9-7-5-6-8-10(9)12-3;/h5,7H,4,6,8H2,1-3H3;1H
InChIKeyLDFYQJIYWDSMLD-UHFFFAOYSA-N
MW295.16 g/mol
LogP2.76
Rot. Bonds3

About N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide

N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide (PubChem CID 143262691) has the molecular formula C10H18INO and a molecular weight of 295.16 g/mol. Its IUPAC name is N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide
PubChem CID143262691
Molecular FormulaC10H18INO
Molecular Weight295.16 g/mol
Exact Mass295.04
IUPAC NameN-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide
SMILESCCN(C)C1=C(OC)CCC=C1.I
InChIInChI=1S/C10H17NO.HI/c1-4-11(2)9-7-5-6-8-10(9)12-3;/h5,7H,4,6,8H2,1-3H3;1H
InChIKeyLDFYQJIYWDSMLD-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine
CID 70904789
ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
CID 143262741
3-methyl-6,7-dihydro-2H-1,3-benzoxazole
CID 143500995
Methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine
CID 145321808
Ethane;4-ethyl-2,3,7,8-tetrahydro-1,4-benzoxazine
CID 170582123
CID 173725389
CID 173725389
N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine
CID 143262692
(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
CID 143262742

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide?
The IUPAC name of N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide (CID 143262691) is N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide.
What is the SMILES notation for N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide?
The canonical SMILES for N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide is CCN(C)C1=C(OC)CCC=C1.I.
What is the InChIKey of N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide?
The InChIKey is LDFYQJIYWDSMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.HI/c1-4-11(2)9-7-5-6-8-10(9)12-3;/h5,7H,4,6,8H2,1-3H3;1H.
What are the key properties of N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide?
N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide has a molecular weight of 295.16 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide is sourced from PubChem (CID 143262691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).